Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Fluoro-1-benzothiophene-2-carboxylic acid |
EINECS | N/A |
CAS No. | 70060-13-8 | Density | 1.511 g/cm3 |
PSA | 65.54000 | LogP | 2.73860 |
Solubility | N/A | Melting Point |
240-243 °C |
Formula | C9H5FO2S | Boiling Point | 379.4 °C at 760 mmHg |
Molecular Weight | 196.202 | Flash Point | 183.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Fluorobenzothiophene-2-carboxylicacid;5-Fluoro-1-benzothiophene-2-carboxylic acid; |
Article Data | 8 |
The CAS register number of 5-Fluoro-1-benzothiophene-2-carboxylic acid is 70060-13-8. It also can be called as Benzo[b]thiophene-2-carboxylicacid, 5-fluoro- and the systematic name about this chemical is 5-fluoro-1-benzothiophene-2-carboxylic acid. The molecular formula about this chemical is C9H5FO2S and the molecular weight is 196.2.
Physical properties about 5-Fluoro-1-benzothiophene-2-carboxylic acid are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 5.58; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.25; (7)ACD/KOC (pH 7.4): 3.23; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54Å2; (12)Index of Refraction: 1.686; (13)Molar Refractivity: 49.4 cm3; (14)Molar Volume: 129.7 cm3; (15)Polarizability: 19.58x10-24cm3; (16)Surface Tension: 61.5 dyne/cm; (17)Enthalpy of Vaporization: 66.18 kJ/mol; (18)Boiling Point: 379.4 °C at 760 mmHg; (19)Vapour Pressure: 1.98E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc1c(sc(c1)C(=O)O)cc2
(2)InChI: InChI=1/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(3)InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
(5)Std. InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYSA-N